Geometry & MOs

Info

ID:	387002
PubChem CID:	134983652
Reduced:	OC10H16 (1)
Stoich.:	AB10C16 (1)
Weight, g/mol:	268.131074
ΔH_f, kcal/mol:	-30.34
Dipole, Da:	1.36
IP(EA), eV:	-8.94(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(1R,6S)-6-(methoxymethyl)cyclohepta-2,4-dien-1-yl]propanedioate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](C=CC=C1)COC

DOS

IR

Vibrations